CID 80463387

3-(chloromethyl)-4-methyl-5-phenyl-1,2-oxazole

Structural Information

Molecular Formula
C11H10ClNO
SMILES
CC1=C(ON=C1CCl)C2=CC=CC=C2
InChI
InChI=1S/C11H10ClNO/c1-8-10(7-12)13-14-11(8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
JCGZHGHORPDCOM-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-4-methyl-5-phenyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04509 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05237 141.7
[M+Na]+ 230.03431 157.6
[M+NH4]+ 225.07891 151.3
[M+K]+ 246.00825 151.4
[M-H]- 206.03781 147.0
[M+Na-2H]- 228.01976 150.6
[M]+ 207.04454 145.9
[M]- 207.04564 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.